Mol:BMAXDP--0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 17 16 0 0 1 0 0 0 0 0999 V2000 | + | 17 16 0 0 1 0 0 0 0 0999 V2000 |
| − | 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 11 6 1 0 0 0 0 | + | 11 6 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 2 6 1 1 0 0 0 | + | 2 6 1 1 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 1 15 2 0 0 0 0 | + | 1 15 2 0 0 0 0 |
| − | 1 16 1 0 0 0 0 | + | 1 16 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXDP--0003 | + | ID BMAXDP--0003 |
| − | NAME beta-Alanyl-L-arginine | + | NAME beta-Alanyl-L-arginine |
| − | FORMULA C9H19N5O3 | + | FORMULA C9H19N5O3 |
| − | EXACTMASS 245.1487 | + | EXACTMASS 245.1487 |
| − | AVERAGEMASS 245.279 | + | AVERAGEMASS 245.279 |
| − | SMILES NCCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O | + | SMILES NCCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05340 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05340 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
17 16 0 0 1 0 0 0 0 0999 V2000
8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 1 0 0 0 0
11 6 1 0 0 0 0
5 7 1 0 0 0 0
13 12 1 0 0 0 0
7 8 1 0 0 0 0
2 6 1 1 0 0 0
8 9 1 0 0 0 0
14 13 1 0 0 0 0
11 17 2 0 0 0 0
2 3 1 0 0 0 0
8 10 2 0 0 0 0
12 11 1 0 0 0 0
2 1 1 0 0 0 0
3 4 1 0 0 0 0
1 15 2 0 0 0 0
1 16 1 0 0 0 0
S SKP 7
ID BMAXDP--0003
NAME beta-Alanyl-L-arginine
FORMULA C9H19N5O3
EXACTMASS 245.1487
AVERAGEMASS 245.279
SMILES NCCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05340
M END
